5C1A

p97-N750D/R753D/M757D/Q760D in complex with ATP-gamma-S

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 1 21 1
Unit cell lengths	182.669, 145.470, 251.397
Unit cell angles	90.00, 109.77, 90.00

Refinement procedure

Resolution	49.047 - 3.800
R-factor	0.1935
Rwork	0.190
R-free	0.25360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cf3
RMSD bond length	0.005
RMSD bond angle	1.004
Data reduction software	XDS
Data scaling software	Aimless (0.1.27)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.050	49.050	3.860
High resolution limit [Å]	3.800	20.810	3.800
Rmerge	0.140	0.059	1.871
Rpim	0.062	0.028	0.808
Total number of observations	702900	3851	35850
Number of reflections	120767
<I/σ(I)>	8	29.1	1.1
Completeness [%]	98.9	90.5	99.2
Redundancy	5.8	5.4	6
CC(1/2)	0.997	0.993	0.501

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	9-9.5% PEG 4000, 0.4-0.5 M magnesium acetate, 0.1 M sodium-citrate pH 5.6