5A7L

TP901-1 CI NTD (res 1-80)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 2
Unit cell lengths	53.720, 36.010, 38.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.911 - 2.103
R-factor	0.2179
Rwork	0.216
R-free	0.23590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zhi
RMSD bond length	0.004
RMSD bond angle	0.681
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.170	0.810
Number of reflections	4277
<I/σ(I)>	5.68	1.73
Completeness [%]	90.6	87.3
Redundancy	3.52	2.89

Crystallization Conditions

crystal ID	method	pH	temperature	details
1