2BR5

cmcI-N160 SAH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	90.912, 102.520, 181.411
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.390 - 2.830
R-factor	0.235
Rwork	0.231
R-free	0.30100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bm8
RMSD bond length	0.011
RMSD bond angle	1.313
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	2.900	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.060	0.430
Number of reflections	40910
<I/σ(I)>	13.6	2.4
Completeness [%]	99.8	99.3
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		pH 7.50