4C49

Reactive loop cleaved human CBG in complex with cortisol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-10-25
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 1 21 1
Unit cell lengths	72.820, 110.420, 92.540
Unit cell angles	90.00, 102.52, 90.00

Refinement procedure

Resolution	69.920 - 2.700
R-factor	0.2229
Rwork	0.221
R-free	0.26830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vdy
RMSD bond length	0.016
RMSD bond angle	1.489
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE: 1.8.4_1488))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.920	2.820
High resolution limit [Å]	2.700	2.700
Rmerge	0.150	1.500
Number of reflections	37371
<I/σ(I)>	5.7	1
Completeness [%]	95.1	98.6
Redundancy	3.9	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.3		12% PEG 3350, 0.2M NACL, 50 MM MES, PH 5.3