5OTB

Structure of caprine serum albumin in P1 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-25
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9184
Spacegroup name	P 1
Unit cell lengths	78.750, 80.930, 110.530
Unit cell angles	90.01, 75.90, 72.22

Refinement procedure

Resolution	40.000 - 2.500
R-factor	0.19845
Rwork	0.197
R-free	0.24595
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ori
RMSD bond length	0.019
RMSD bond angle	2.147
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.059	0.703
Number of reflections	85355	9218
<I/σ(I)>	12.97	1.98
Completeness [%]	98.1
Redundancy	3.15	3.11
CC(1/2)	0.998	0.596

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	283	0,2M L-Proline, Hepes pH 7,5, 24% PEG 1500